MolNFT v1 · #17069 · protein
Bovine mitochondrial F1-ATPase complexed with the inhibitor protein IF1
1OHH · ATP synthase alpha chain heart isoform, mitochondrial: “Bovine mitochondrial F1-ATPase complexed with the inhibitor protein IF1”. X-ray diffraction, 2 ligands (ANP, MG), 20 pockets (best druggability 0.87). MolNFT v1 #17069 on…
- PDB
- 1OHH
- Type
- protein
- Length
- 2,986 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP synthase alpha chain heart isoform, mitochondrial; ATP synthase beta chain…
- EC
- 3.6.1.34
- UniProt
- P19483, P00829, P05631, P01096
- Ligands
- ANP, MG
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 7 distinct chains · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP synthase alpha chain heart isoform, mitochondrial (EC 3.6.1.34) | protein | 487 | 43% helix, 20% strand | P19483 |
| B | ATP synthase alpha chain heart isoform, mitochondrial (EC 3.6.1.34) | protein | 479 | 42% helix, 20% strand | P19483 |
| C | ATP synthase alpha chain heart isoform, mitochondrial (EC 3.6.1.34) | protein | 488 | 42% helix, 21% strand | P19483 |
| D | ATP synthase beta chain, mitochondrial (EC 3.6.1.34) | protein | 469 | 39% helix, 20% strand | P00829 |
| E, F | ATP synthase beta chain, mitochondrial (EC 3.6.1.34) | protein | 466 | 37% helix, 22% strand | P00829 |
| G | ATP synthase gamma chain, mitochondrial (EC 3.6.1.34) | protein | 94 | 87% helix, 0% strand | P05631 |
| H | ATPase inhibitor, mitochondrial | protein | 37 | 81% helix, 0% strand | P01096 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 5 copies · chains A, D, B, E, C, F
- MG · Magnesium ion · metal · 5 copies · chains A, B, C, D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 698 | 0.87 | 0.91 | 82 | ANP, MG |
| 2 | 304 | 0.85 | 0.95 | 66 | empty |
| 3 | 476 | 0.84 | 0.91 | 68 | empty |
| 4 | 834 | 0.84 | 0.86 | 79 | ANP, MG |
| 5 | 578 | 0.83 | 0.88 | 66 | empty |
Interfaces
18 interfaces between chains.
- A–D · 2651 Ų buried · 31 hydrogen bonds · protein-protein
- C–F · 2393 Ų buried · 24 hydrogen bonds · protein-protein
- B–F · 2227 Ų buried · 32 hydrogen bonds · protein-protein
- C–D · 2157 Ų buried · 34 hydrogen bonds · protein-protein
- B–E · 1977 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 1OHH · BOVINE MITOCHONDRIAL F1-ATPASE complexed with the inhibitor protein IF1 · the same entry in another collection · chain H against H, TM-score 1.00
- P19483 · AlphaFold monomer V2.0 prediction for ATP synthase subunit alpha, mitochondrial (P19483) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P00829 · AlphaFold monomer V2.0 prediction for ATP synthase subunit beta, mitochondrial (P00829) · a predicted model of the same protein · chain E against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P19483
- Every structure of UniProt P00829
- Every structure of UniProt P05631
- Every structure of UniProt P01096
- Elsewhere: RCSB PDB 1OHH · PDBe 1OHH · UniProt P19483 · UniProt P00829 · UniProt P05631 · UniProt P01096
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